200,000+ products from a single source!
sales@angenechem.com
183483-15-0 | 1-Piperidinecarboxylic acid, 4-(8-chloro-5,6-dihydro-3-hydroxy-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-, ethyl ester
CAS No: 183483-15-0 Catalog No: AG0027M7 MDL No:
Product Description
Catalog Number:
AG0027M7
Chemical Name:
1-Piperidinecarboxylic acid, 4-(8-chloro-5,6-dihydro-3-hydroxy-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-, ethyl ester
CAS Number:
183483-15-0
Molecular Formula:
C22H23ClN2O3
Molecular Weight:
398.8826
IUPAC Name:
ethyl 4-(13-chloro-6-hydroxy-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate
InChI:
InChI=1S/C22H23ClN2O3/c1-2-28-22(27)25-9-7-14(8-10-25)20-19-6-5-17(23)11-15(19)3-4-16-12-18(26)13-24-21(16)20/h5-6,11-13,26H,2-4,7-10H2,1H3
InChI Key:
KCVVQHZYLIQAEG-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2ncc(c3)O)Cl)CC1
Properties
Complexity:
601
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.14g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
398.887g/mol
Monoisotopic Mass:
398.14g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| Loratadine and analogues: discovery and preliminary structure-activity relationship of inhibitors of the amino acid transporter B(0)AT2. | Journal of medicinal chemistry 20141126 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.